4-[4-[2-(4-propan-2-ylphenyl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-(4-propan-2-ylphenyl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(4-isopropylphenyl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[1-oxo-2-[(4-propan-2-ylphenyl)thio]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(4-propan-2-ylphenyl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(p-cumenylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O3S2/c1-17(2)19-5-7-20(8-6-19)29-16-22(26)24-11-13-25(14-12-24)30(27,28)21-9-3-18(15-23)4-10-21/h3-10,17H,11-14,16H2,1-2H3